Articles by Emmanuel Noutahi | Synthical

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5

Graph Classification Gaussian Processes via Hodgelet Spectral Features

1 February 2025 by Mathieu Alain and others

Machine Learning

Benchmarking Transcriptomics Foundation Models for Perturbation Analysis : one PCA still rules them all

4 November 2024 by Ihab Bendidi and others

Machine Learning

SAFE setup for generative molecular design

26 October 2024 by Yassir Mesbahi and Emmanuel Noutahi

Machine Learning, Biomolecules

Gotta be SAFE: A New Framework for Molecular Design

10 December 2023 by Emmanuel Noutahi and others

Machine Learning, Biomolecules

Role of Structural and Conformational Diversity for Machine Learning Potentials

30 October 2023 by Nikhil Shenoy and others

Chemical Physics, Machine Learning

Real-World Molecular Out-Of-Distribution: Specification and Investigation

26 July 2023 by Prudencio Tossou and others at

Université Laval

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Molecular Design in Synthetically Accessible Chemical Space via Deep Reinforcement Learning

16 October 2020 by Julien Horwood and Emmanuel Noutahi at

Université de Montréal

Chemical Physics, Machine Learning

Towards Interpretable Molecular Graph Representation Learning

30 January 2020 by Emmanuel Noutahi and others

Machine Learning, Biomolecules

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Machine Learning Biomolecules Chemical Physics Theoretical and Computational Chemistry Biological and Medicinal Chemistry Drug Discovery and Drug Delivery Systems Computational Chemistry and Modeling